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OATD-01

CAT: 0013-GTR19164707-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164707-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
OATD-01 is a potent dual inhibitor of the chitinases CHIT1 and AMCase. It is a valuable research tool for investigating chitinase biology in allergic asthma and other inflammatory diseases, suitable for both in vitro and in vivo experimental models.
CAS Number
2088453-21-6
Product Name Alternative
Acidic mammalian chitinase (AMCase), antifibrotic, chitinase, CHIT1, Chitotriosidase (CHIT1), OATD 01, OATD01, OATD-01, inhibit, IPF, Inhibitor, pulmonary fibrosis
Purity
99.57% (May vary between batches)
Solubility
DMSO:85 mg/mL (217.44 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (8.44 mM)
Smiles
C[C@H]1CN ([C@@H] (Cc2ccc (Cl) cc2) CO1) C1CCN (CC1) c1nc (N) n[nH]1
Molecular Formula
C19H27ClN6O
Molecular Weight
390.91
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(4-((2S,5S)-5-(4-Chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-1H-1,2,4-triazol-3-amine
CAS Number2088453-21-6
PubChem CID126642132
IUPAC Name3-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
Molecular FormulaC19H27ClN6O
Molecular Weight390.9
XLogP3.4
Topological Polar Surface Area83.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity469
SMILES
C[C@H]1CN([C@H](CO1)CC2=CC=C(C=C2)Cl)C3CCN(CC3)C4=NNC(=N4)N
InChI
InChI=1S/C19H27ClN6O/c1-13-11-26(17(12-27-13)10-14-2-4-15(20)5-3-14)16-6-8-25(9-7-16)19-22-18(21)23-24-19/h2-5,13,16-17H,6-12H2,1H3,(H3,21,22,23,24)/t13-,17-/m0/s1
InChIKey
STWVLEKJQQRGMO-GUYCJALGSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-((2S,5S)-5-(4-Chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-1H-1,2,4-triazol-3-amine
CAS: 2088453-21-6
CID: 126642132
Formula: C19H27ClN6O
MW: 390.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.9
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass390.1934872
Monoisotopic Mass390.1934872
Topological Polar Surface Area83.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity469
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T3637COS-7-DRA1*01:01/DRB5*01:01 Cell Line
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